SCHEMBL993728

SCHEMBL993728

CN1CCC(Nc2cc[c]cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.48
POLB P06746 1/20 0.44
NOS2 P35228 5/20 0.43
NOS1 P29475 4/20 0.43
NOS3 P29474 2/20 0.43
SYK P43405 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
IKBKB O14920 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL746385 0.85 HCAR3 (0.43) HRH4NOS2NOS1NOS3EGLN2
SCHEMBL16799345 0.82 HCAR3 (0.46) HRH4KDM4EALDH1A1L3MBTL1
SCHEMBL12440506 0.76 NOS2 (0.62) HRH4POLBNOS2NOS1NOS3
Hydrochloric Acid SCHEMBL27710837 0.74 NOS2 (0.60) HRH4POLBNOS2NOS1NOS3
SCHEMBL15830500 0.73 KDM4E (0.71) HRH4POLBNOS2NOS1NOS3
SCHEMBL14980406 0.73 MALT1 (0.50) HRH4POLBNOS2NOS1NOS3
SCHEMBL17409788 0.73 CCR6 (0.55) HRH4POLBNOS2NOS1NOS3
SCHEMBL15986824 0.73 HRH4 (0.46) HRH4POLBNOS2SYKIKBKB
SCHEMBL27363570 0.72 SYK (0.45) HRH4POLBNOS2SYKBRD4
SCHEMBL21875047 0.70 OPRM1 (0.53) NOS2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US disclosed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP disclosed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI HRH4 3188/4885POLB 165/4885NOS2 3248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.